In-Silico Structure Database (LMISSD)
Common Name
PE(P-20:0/15:0)
Systematic Name
1-(1Z-eicosenyl)-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02030066
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
717.567242
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
ZIVFNLDPMJRMKH-MCBGMKGZSA-N
InChi (Click to copy)
InChI=1S/C40H80NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41)48-40(42)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h32,35,39H,3-31,33-34,36-38,41H2,1-2H3,(H,43,44)/b35-32-/t39-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
0
Aromatic Rings
0
Rotatable Bonds
41
Van der Waals Molecular Volume
787.64
Topological Polar Surface Area
117.31
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
13.86
Molar Refractivity
207.95